N-(5-chloranyl-2-phenoxy-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-phenoxy-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C21H15ClN2O5S MolecularWeight: 442.8722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H15ClN2O5S/c22-14-10-11-18(29-15-6-2-1-3-7-15)17(12-14)23-20(25)13-24-21(26)16-8-4-5-9-19(16)30(24,27)28/h1-12H,13H2,(H,23,25)